Phellodendrine chloride

(13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride

CAS: 104112-82-5

Molecular Formula	`C20H24ClNO4`
Molecular Weight	377.9 g/mol
Topological Polar Surface Area	58.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	377.13937
Heavy Atoms	26
Complexity	488.0

Chemical Identifiers

CAS Number	104112-82-5
SMILES	`C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-]`
InChIKey	`DGLDSNPMIYUWGN-OOJQBDKLSA-N`

📖 Product Overview

Phellodendrine chloride (CAS: 104112-82-5) is a chemical compound with molecular formula C20H24ClNO4 and molecular weight 377.9 g/mol. Its IUPAC systematic name is (13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,11-diol chloride. Topological Polar Surface Area 58.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 377.13937 Heavy Atoms 26 Complexity 488.0 InChI Key: DGLDSNPMIYUWGN-OOJQBDKLSA-N. SMILES: C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)O)O)OC.[Cl-].

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